Basic information
- CAS
565-89-9- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C- InChIKey
NFVCQZNBRFPYOP-MGEMXUTCSA-N- Molecular formula
- C21H34O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.25079494
Names & identifiers
- Preferred name
- 5alpha-Pregnan-20-one, 3beta,11beta-dihydroxy-
- IUPAC
- 1-[(3S,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 5alpha-Pregnan-20-one, 3beta,11beta-dihydroxy-
- Molecular formula
- C21H34O3
- Molecular weight
- 334.49
Names & synonyms
5alpha-Pregnan-20-one, 3beta,11beta-dihydroxy-565-89-9DTXSID604699775.alpha.-Pregnan-20-one, 3.beta.,11.beta.-dihydroxy-RefChem:305083DTXCID104207953,11-Dihydroxypregnan-20-one #3beta,11beta-Dihydroxy-5alpha-pregnan-20-oneSCHEMBL14416972NFVCQZNBRFPYOP-MGEMXUTCSA-NPregnan-20-one, 3,11-dihydroxy-, (3.beta.,5.alpha.,11.beta.)-Pregnan-20-one, 3,11-dihydroxy-, (3β,5α,11β)- (9CI)
Database identifiers
- CAS
565-89-9- PubChem CID
- 11645699
- DTXSID
DTXSID60469977- Nikkaji
- J121.983I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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